1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-piperonyl-thiourea Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4)OC1

InChI

InChI=1S/C18H18N2O4S/c25-18(19-10-12-2-4-15-16(8-12)24-11-23-15)20-13-3-5-14-17(9-13)22-7-1-6-21-14/h2-5,8-9H,1,6-7,10-11H2,(H2,19,20,25)